Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.81 |
| ▸ | CA4 | P22748 | 1/20 | 0.81 |
| ▸ | CA1 | P00915 | 12/20 | 0.50 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL8181433 | 0.98 | CA2 (0.85) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL29627423 | 0.98 | CA2 (0.76) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL28127259 | 0.95 | CA2 (0.81) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL2262090 | 0.93 | CA2 (0.77) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL32677583 | 0.93 | CA2 (0.76) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL32677582 | 0.93 | CA2 (0.76) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL28407344 | 0.93 | CA2 (0.76) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL28987747 | 0.93 | CA2 (0.76) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL11054341 | 0.93 | CA2 (0.76) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL361239 | 0.93 | CA2 (0.85) | CA2CA4CA1CES2CES1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001055435-A2 | METHODS AND MATERIALS RELATING TO HEMATOPOIETIC CYTOKINE-LIKE POLYPEPTIDES AND POLYNUCLEOTIDES | HYSEQ, INC. (US) | 2001-08-02 | — | — | WO | disclosed |